(2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide

C10H20N2O3S2 — CID 104907039

IUPAC(2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H20N2O3S2/c1-16-5-2-9(11)10(13)12-8-3-6-17(14,15)7-4-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyVOCCIKUNYVBICT-SECBINFHSA-N
MW280.41 g/mol
LogP-0.24
Rot. Bonds5

About (2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide (PubChem CID 104907039) has the molecular formula C10H20N2O3S2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide
PubChem CID104907039
Molecular FormulaC10H20N2O3S2
Molecular Weight280.41 g/mol
Exact Mass280.09
IUPAC Name(2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H20N2O3S2/c1-16-5-2-9(11)10(13)12-8-3-6-17(14,15)7-4-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyVOCCIKUNYVBICT-SECBINFHSA-N
XLogP-0.24
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
(2R)-N-(1-acetylpiperidin-4-yl)-2-amino-4-methylsulfanylbutanamide
CID 104907401
(2S)-2-amino-N-cyclopent-3-en-1-yl-4-methylsulfanylbutanamide
CID 103950535
(2S)-2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-methylsulfanylbutanamide
CID 119900300
(2R)-2-amino-4-methylsulfanyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 104908109
(2S)-2-amino-N-[2-(cyclohexylamino)-2-oxoethyl]-4-methylsulfanylbutanamide
CID 119309564
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbutanamide
CID 104908561
(2S)-2-amino-4-methylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 61177899
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-methylsulfanylbutanamide
CID 104908828
(2S)-2-amino-N-[(1S)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81391661
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-4-methylsulfanylbutanamide
CID 81393379

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide (CID 104907039) is (2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)NC1CCS(=O)(=O)CC1.
What is the InChIKey of (2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide?
The InChIKey is VOCCIKUNYVBICT-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2O3S2/c1-16-5-2-9(11)10(13)12-8-3-6-17(14,15)7-4-8/h8-9H,2-7,11H2,1H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide has a molecular weight of 280.41 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1,1-dioxothian-4-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104907039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).